Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3022e878acda4e50a2047103454fc8ef",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.225,
"b": 53.017,
"c": 44.692,
"alpha": 90.00,
"beta": 103.06,
"gamma": 90.00
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.570,1.450],
"number_observations_unique": 85995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 16721,
"number_observations_unique": 2124,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.035
},
{
"type": "R(meas)",
"value": 1.108
},
{
"type": "R(pim)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [27.570,7.940],
"number_observations": 2003,
"number_observations_unique": 289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 39.700
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}